N-[1-(3-phenylpropyl)piperidin-3-yl]quinoxalin-2-amine

• ChemBase ID: 748557
• Molecular Formular: C22H26N4
• Molecular Mass: 346.46864
• Monoisotopic Mass: 346.21574685
• SMILES: n1c(NC2CN(CCCc3ccccc3)CCC2)cnc2c1cccc2
• Canonical SMILES: c1ccc(cc1)CCCN1CCCC(C1)Nc1cnc2c(n1)cccc2
• InChI: InChI=1S/C22H26N4/c1-2-8-18(9-3-1)10-6-14-26-15-7-11-19(17-26)24-22-16-23-20-12-4-5-13-21(20)25-22/h1-5,8-9,12-13,16,19H,6-7,10-11,14-15,17H2,(H,24,25)
• InChIKey: CSVMCQHIVHGCDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-phenylpropyl)piperidin-3-yl]quinoxalin-2-amine
• IUPAC Traditional name: N-[1-(3-phenylpropyl)piperidin-3-yl]quinoxalin-2-amine
• Synonyms: N-[1-(3-phenylpropyl)-3-piperidinyl]-2-quinoxalinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.191334
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0259103
• LogD (pH = 7.4): 2.5254526
• Log P: 4.308226
• Molar Refractivity: 107.1566 cm^3
• Polarizability: 42.329414 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.26
• LOG S: -4.36
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 6